ethane;(E)-8-(2-methoxy-5-methylphenyl)-2-methyloct-7-en-2-ol

C19H32O2 — CID 143822201

IUPACethane;(E)-8-(2-methoxy-5-methylphenyl)-2-methyloct-7-en-2-ol
SMILESCC.COc1ccc(C)cc1/C=C/CCCCC(C)(C)O
InChIInChI=1S/C17H26O2.C2H6/c1-14-10-11-16(19-4)15(13-14)9-7-5-6-8-12-17(2,3)18;1-2/h7,9-11,13,18H,5-6,8,12H2,1-4H3;1-2H3/b9-7+;
InChIKeySHDKRKOVRJTVJA-BXTVWIJMSA-N
MW292.46 g/mol
LogP5.37
Rot. Bonds7

About ethane;(E)-8-(2-methoxy-5-methylphenyl)-2-methyloct-7-en-2-ol

ethane;(E)-8-(2-methoxy-5-methylphenyl)-2-methyloct-7-en-2-ol (PubChem CID 143822201) has the molecular formula C19H32O2 and a molecular weight of 292.46 g/mol. Its IUPAC name is ethane;(E)-8-(2-methoxy-5-methylphenyl)-2-methyloct-7-en-2-ol.

Molecular Properties

Compound Nameethane;(E)-8-(2-methoxy-5-methylphenyl)-2-methyloct-7-en-2-ol
PubChem CID143822201
Molecular FormulaC19H32O2
Molecular Weight292.46 g/mol
Exact Mass292.24
IUPAC Nameethane;(E)-8-(2-methoxy-5-methylphenyl)-2-methyloct-7-en-2-ol
SMILESCC.COc1ccc(C)cc1/C=C/CCCCC(C)(C)O
InChIInChI=1S/C17H26O2.C2H6/c1-14-10-11-16(19-4)15(13-14)9-7-5-6-8-12-17(2,3)18;1-2/h7,9-11,13,18H,5-6,8,12H2,1-4H3;1-2H3/b9-7+;
InChIKeySHDKRKOVRJTVJA-BXTVWIJMSA-N
XLogP5.37
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.46
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethane;1-methoxy-2-[(E)-6-methoxyhex-1-enyl]-4-methylbenzene
CID 143806665
ethane;1-methoxy-2-[(E)-7-methoxyhept-1-enyl]-4-methylbenzene
CID 143822214
ethane;1-methoxy-2-[(E)-7-methoxyhept-1-enyl]-4-methylbenzene
CID 143806752
ethane;(E)-7-(2-methoxy-5-methylphenyl)hept-6-en-2-ol
CID 143867312
ethane;1-methoxy-2-[(E)-6-methoxy-5,5-dimethylhex-1-enyl]-4-methylbenzene
CID 143806811
(E)-4-(2-methoxy-5-methylphenyl)but-3-en-1-ol
CID 143867297
tert-butyl N-[4-(2-methoxy-5-methylphenyl)but-3-enyl]carbamate
CID 170490365
2-(3-chloroprop-1-enyl)-1-methoxy-4-methylbenzene
CID 169477246
(E,2S)-6-(2-methoxy-5-methylphenyl)-2-methylhex-5-en-1-ol
CID 143867243
2-(2-methoxy-5-methylphenyl)-6-methylheptane-2,6-diol
CID 165345524
(E)-4-(2-methoxy-5-methylphenyl)-2,2-dimethylbut-3-en-1-ol
CID 143867345
(E)-6-(3,4-dimethoxyphenyl)-2-methylhex-5-en-2-ol
CID 98016041

Frequently Asked Questions

What is the IUPAC name of ethane;(E)-8-(2-methoxy-5-methylphenyl)-2-methyloct-7-en-2-ol?
The IUPAC name of ethane;(E)-8-(2-methoxy-5-methylphenyl)-2-methyloct-7-en-2-ol (CID 143822201) is ethane;(E)-8-(2-methoxy-5-methylphenyl)-2-methyloct-7-en-2-ol.
What is the SMILES notation for ethane;(E)-8-(2-methoxy-5-methylphenyl)-2-methyloct-7-en-2-ol?
The canonical SMILES for ethane;(E)-8-(2-methoxy-5-methylphenyl)-2-methyloct-7-en-2-ol is CC.COc1ccc(C)cc1/C=C/CCCCC(C)(C)O.
What is the InChIKey of ethane;(E)-8-(2-methoxy-5-methylphenyl)-2-methyloct-7-en-2-ol?
The InChIKey is SHDKRKOVRJTVJA-BXTVWIJMSA-N. The full InChI is InChI=1S/C17H26O2.C2H6/c1-14-10-11-16(19-4)15(13-14)9-7-5-6-8-12-17(2,3)18;1-2/h7,9-11,13,18H,5-6,8,12H2,1-4H3;1-2H3/b9-7+;.
What are the key properties of ethane;(E)-8-(2-methoxy-5-methylphenyl)-2-methyloct-7-en-2-ol?
ethane;(E)-8-(2-methoxy-5-methylphenyl)-2-methyloct-7-en-2-ol has a molecular weight of 292.46 g/mol, XLogP of 5.37, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(E)-8-(2-methoxy-5-methylphenyl)-2-methyloct-7-en-2-ol is sourced from PubChem (CID 143822201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).